| Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ... Molecular Physics 113 (2), 184-215, 2015 | 3208 | 2015 |
| Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ... The Journal of chemical physics 155 (8), 2021 | 844 | 2021 |
| Observation of water dangling OH bonds around dissolved nonpolar groups PN Perera, KR Fega, C Lawrence, EJ Sundstrom, J Tomlinson-Phillips, ... Proceedings of the National Academy of Sciences 106 (30), 12230-12234, 2009 | 203 | 2009 |
| LOBA: a localized orbital bonding analysis to calculate oxidation states, with application to a model water oxidation catalyst AJW Thom, EJ Sundstrom, M Head-Gordon Physical Chemistry Chemical Physics 11 (47), 11297-11304, 2009 | 176 | 2009 |
| Complex absorbing potentials within EOM-CC family of methods: Theory, implementation, and benchmarks D Zuev, TC Jagau, KB Bravaya, E Epifanovsky, Y Shao, E Sundstrom, ... The Journal of chemical physics 141 (2), 2014 | 149 | 2014 |
| Unrestricted absolutely localized molecular orbitals for energy decomposition analysis: Theory and applications to intermolecular interactions involving radicals PR Horn, EJ Sundstrom, TA Baker, M Head-Gordon The Journal of Chemical Physics 138 (13), 2013 | 118 | 2013 |
| Non-orthogonal configuration interaction for the calculation of multielectron excited states EJ Sundstrom, M Head-Gordon The Journal of chemical physics 140 (11), 2014 | 96 | 2014 |
| Computational and experimental study of the mechanism of hydrogen generation from water by a molecular molybdenum-oxo electrocatalyst EJ Sundstrom, X Yang, VS Thoi, HI Karunadasa, CJ Chang, JR Long, ... Journal of the American Chemical Society 134 (11), 5233-5242, 2012 | 78 | 2012 |
| 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 Rhee Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ... N. Engl. J. Med 363, 1693-1703, 2010 | 62* | 2010 |
| Spin–flip non-orthogonal configuration interaction: a variational and almost black-box method for describing strongly correlated molecules NJ Mayhall, PR Horn, EJ Sundstrom, M Head-Gordon Physical Chemistry Chemical Physics 16 (41), 22694-22705, 2014 | 53 | 2014 |
| Useful lower limits to polarization contributions to intermolecular interactions using a minimal basis of localized orthogonal orbitals: Theory and analysis of the water dimer RJ Azar, PR Horn, EJ Sundstrom, M Head-Gordon The Journal of Chemical Physics 138 (8), 2013 | 51 | 2013 |
| Degree of initial hole localization/delocalization in ionized water clusters PA Pieniazek, EJ Sundstrom, SE Bradforth, AI Krylov The Journal of Physical Chemistry A 113 (16), 4423-4429, 2009 | 44 | 2009 |
| Wavefunction stability analysis without analytical electronic Hessians: Application to orbital-optimised second-order Mĝller–Plesset theory and VV10-containing density functionals SM Sharada, D Stück, EJ Sundstrom, AT Bell, M Head-Gordon Molecular Physics 113 (13-14), 1802-1808, 2015 | 41 | 2015 |
| Restricted Hartree Fock using complex-valued orbitals: A long-known but neglected tool in electronic structure theory DW Small, EJ Sundstrom, M Head-Gordon The Journal of chemical physics 142 (2), 2015 | 35 | 2015 |
| A simple way to test for collinearity in spin symmetry broken wave functions: General theory and application to generalized Hartree Fock DW Small, EJ Sundstrom, M Head-Gordon The Journal of chemical physics 142 (9), 2015 | 27 | 2015 |
| Advances in molecular quantum chemistry contained in the Q-Chem 4 program package F Liu, E Livshits, RC Lochan, A Luenser, P Manohar, SF Manzer, SP Mao, ... Molecular Physics 113 (2), 184-215, 2015 | 19 | 2015 |
| Erratum:“Complex absorbing potentials within EOM-CC family of methods: Theory, implementation, and benchmarks”[J. Chem. Phys. 141, 024102 (2014)] D Zuev, TC Jagau, KB Bravaya, E Epifanovsky, Y Shao, E Sundstrom, ... The Journal of Chemical Physics 143 (14), 2015 | 8 | 2015 |
| Complex absorbing potentials within EOM-CC family of methods: Theory, implementation, and benchmarks (vol 141, 024102, 2014) D Zuev, TC Jagau, KB Bravaya, E Epifanovsky, Y Shao, E Sundstrom, ... Journal Of Chemical Physics 143 (14), 2015 | | 2015 |
| Studies in electronic structure theory: Non-orthogonal configuration interaction, oxidation state analysis, and proton reduction catalysis. EJ Sundstrom UC Berkeley, 2014 | | 2014 |
| Complex Generalized Hartree-Fock EJ Sundstrom THEORY OF ELECTRON-MOLECULE COLLISIONS FOR ASTROPHYSICS, BIOPHYSICS AND LOW …, 2012 | | 2012 |
Martin HEAD-GORDONKenneth S. Pitzer Distinguished Professor, University of California, BerkeleyVerified email at cchem.berkeley.edu
